USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 622 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 TYR OH : rot -6:sc= -0.367 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -150:sc= -1.4 USER MOD Single : A 12 SER OG : rot 180:sc= 0.575 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -1.76 X(o=-1.8,f=-2.2!) USER MOD Single : A 15 SER OG : rot -140:sc= -3.15! USER MOD Single : A 19 GLN : amide:sc= -0.97 X(o=-0.97,f=-0.55) USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= -2.74! (180deg=-3.45!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 54:sc= 1.1 USER MOD Single : A 37 LYS NZ :NH3+ -115:sc= -0.101 (180deg=-0.33) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.17 K(o=-0.17,f=-1) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.163 X(o=-0.16,f=0.19) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -3.789 11.545 5.822 1.00 0.00 N ATOM 19 CA ARG A 2 -4.792 10.529 6.266 1.00 0.00 C ATOM 20 C ARG A 2 -4.187 9.130 6.128 1.00 0.00 C ATOM 21 O ARG A 2 -3.412 8.868 5.224 1.00 0.00 O ATOM 22 CB ARG A 2 -6.068 10.611 5.408 1.00 0.00 C ATOM 23 CG ARG A 2 -6.383 12.068 5.034 1.00 0.00 C ATOM 24 CD ARG A 2 -6.655 12.876 6.304 1.00 0.00 C ATOM 25 NE ARG A 2 -7.558 14.024 5.980 1.00 0.00 N ATOM 26 CZ ARG A 2 -7.833 14.955 6.873 1.00 0.00 C ATOM 27 NH1 ARG A 2 -7.314 14.928 8.079 1.00 0.00 N ATOM 28 NH2 ARG A 2 -8.636 15.932 6.547 1.00 0.00 N ATOM 0 HA ARG A 2 -5.053 10.729 7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.941 10.018 4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.907 10.182 5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.547 12.503 4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.250 12.106 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.114 12.240 7.061 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.718 13.243 6.722 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.970 14.088 5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.681 14.174 8.345 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.544 15.661 8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.042 15.968 5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.857 16.659 7.228 1.00 0.00 H new ATOM 42 N LEU A 3 -4.534 8.231 7.016 1.00 0.00 N ATOM 43 CA LEU A 3 -3.978 6.846 6.939 1.00 0.00 C ATOM 44 C LEU A 3 -4.985 5.940 6.224 1.00 0.00 C ATOM 45 O LEU A 3 -5.720 5.199 6.851 1.00 0.00 O ATOM 46 CB LEU A 3 -3.717 6.303 8.354 1.00 0.00 C ATOM 47 CG LEU A 3 -3.023 7.374 9.222 1.00 0.00 C ATOM 48 CD1 LEU A 3 -3.920 7.739 10.408 1.00 0.00 C ATOM 49 CD2 LEU A 3 -1.683 6.837 9.742 1.00 0.00 C ATOM 0 H LEU A 3 -5.178 8.397 7.790 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.038 6.865 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.659 6.006 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.093 5.411 8.299 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.844 8.261 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.426 8.495 11.018 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.868 8.132 10.040 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.105 6.850 11.011 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.199 7.598 10.354 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.857 5.945 10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.040 6.586 8.899 1.00 0.00 H new ATOM 61 N PHE A 4 -5.025 5.997 4.916 1.00 0.00 N ATOM 62 CA PHE A 4 -5.984 5.144 4.152 1.00 0.00 C ATOM 63 C PHE A 4 -5.434 3.721 4.059 1.00 0.00 C ATOM 64 O PHE A 4 -4.247 3.518 3.889 1.00 0.00 O ATOM 65 CB PHE A 4 -6.165 5.712 2.743 1.00 0.00 C ATOM 66 CG PHE A 4 -7.204 6.808 2.770 1.00 0.00 C ATOM 67 CD1 PHE A 4 -6.825 8.126 3.049 1.00 0.00 C ATOM 68 CD2 PHE A 4 -8.547 6.504 2.520 1.00 0.00 C ATOM 69 CE1 PHE A 4 -7.789 9.141 3.077 1.00 0.00 C ATOM 70 CE2 PHE A 4 -9.511 7.518 2.547 1.00 0.00 C ATOM 71 CZ PHE A 4 -9.132 8.838 2.827 1.00 0.00 C ATOM 0 H PHE A 4 -4.433 6.599 4.344 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.946 5.132 4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.218 6.104 2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.472 4.922 2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.789 8.360 3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.839 5.487 2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.496 10.158 3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.547 7.283 2.352 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.876 9.621 2.850 1.00 0.00 H new ATOM 81 N GLY A 5 -6.289 2.735 4.176 1.00 0.00 N ATOM 82 CA GLY A 5 -5.817 1.322 4.102 1.00 0.00 C ATOM 83 C GLY A 5 -6.729 0.510 3.177 1.00 0.00 C ATOM 84 O GLY A 5 -7.941 0.585 3.256 1.00 0.00 O ATOM 0 H GLY A 5 -7.292 2.850 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.792 1.292 3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.810 0.880 5.098 1.00 0.00 H new ATOM 88 N TYR A 6 -6.142 -0.274 2.311 1.00 0.00 N ATOM 89 CA TYR A 6 -6.943 -1.116 1.374 1.00 0.00 C ATOM 90 C TYR A 6 -7.193 -2.475 2.037 1.00 0.00 C ATOM 91 O TYR A 6 -6.339 -2.988 2.737 1.00 0.00 O ATOM 92 CB TYR A 6 -6.147 -1.294 0.076 1.00 0.00 C ATOM 93 CG TYR A 6 -6.927 -2.126 -0.913 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.238 -1.772 -1.250 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.332 -3.250 -1.497 1.00 0.00 C ATOM 96 CE1 TYR A 6 -8.954 -2.546 -2.171 1.00 0.00 C ATOM 97 CE2 TYR A 6 -7.048 -4.022 -2.419 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.360 -3.669 -2.756 1.00 0.00 C ATOM 99 OH TYR A 6 -9.067 -4.430 -3.663 1.00 0.00 O ATOM 0 H TYR A 6 -5.131 -0.368 2.212 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.899 -0.646 1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.923 -0.319 -0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.192 -1.774 0.291 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.697 -0.904 -0.801 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.320 -3.522 -1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.967 -2.275 -2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.589 -4.889 -2.870 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.989 -4.103 -3.716 1.00 0.00 H new ATOM 109 N ALA A 7 -8.354 -3.055 1.841 1.00 0.00 N ATOM 110 CA ALA A 7 -8.641 -4.372 2.489 1.00 0.00 C ATOM 111 C ALA A 7 -9.431 -5.293 1.547 1.00 0.00 C ATOM 112 O ALA A 7 -10.624 -5.478 1.709 1.00 0.00 O ATOM 113 CB ALA A 7 -9.458 -4.136 3.766 1.00 0.00 C ATOM 0 H ALA A 7 -9.107 -2.677 1.266 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.693 -4.854 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.671 -5.092 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.889 -3.507 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.395 -3.641 3.512 1.00 0.00 H new ATOM 119 N ARG A 8 -8.775 -5.904 0.588 1.00 0.00 N ATOM 120 CA ARG A 8 -9.494 -6.843 -0.324 1.00 0.00 C ATOM 121 C ARG A 8 -9.621 -8.183 0.395 1.00 0.00 C ATOM 122 O ARG A 8 -8.756 -9.033 0.306 1.00 0.00 O ATOM 123 CB ARG A 8 -8.716 -7.030 -1.632 1.00 0.00 C ATOM 124 CG ARG A 8 -9.522 -7.924 -2.588 1.00 0.00 C ATOM 125 CD ARG A 8 -10.041 -7.096 -3.766 1.00 0.00 C ATOM 126 NE ARG A 8 -8.918 -6.818 -4.714 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.453 -7.751 -5.523 1.00 0.00 C ATOM 128 NH1 ARG A 8 -8.959 -8.964 -5.533 1.00 0.00 N ATOM 129 NH2 ARG A 8 -7.470 -7.462 -6.330 1.00 0.00 N ATOM 0 H ARG A 8 -7.779 -5.792 0.400 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.476 -6.440 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.527 -6.062 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.745 -7.481 -1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.896 -8.738 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.358 -8.379 -2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.839 -7.633 -4.278 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.467 -6.160 -3.406 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.502 -5.887 -4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.728 -9.201 -4.906 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.583 -9.668 -6.168 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.070 -6.524 -6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.101 -8.174 -6.960 1.00 0.00 H new ATOM 143 N VAL A 9 -10.682 -8.358 1.135 1.00 0.00 N ATOM 144 CA VAL A 9 -10.872 -9.620 1.905 1.00 0.00 C ATOM 145 C VAL A 9 -10.877 -10.838 0.979 1.00 0.00 C ATOM 146 O VAL A 9 -10.933 -10.729 -0.230 1.00 0.00 O ATOM 147 CB VAL A 9 -12.197 -9.553 2.671 1.00 0.00 C ATOM 148 CG1 VAL A 9 -12.181 -8.339 3.601 1.00 0.00 C ATOM 149 CG2 VAL A 9 -13.372 -9.428 1.688 1.00 0.00 C ATOM 0 H VAL A 9 -11.432 -7.674 1.240 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.041 -9.726 2.603 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.319 -10.466 3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.122 -8.287 4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.356 -8.432 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.054 -7.431 3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.308 -9.381 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.256 -8.520 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.386 -10.294 1.026 1.00 0.00 H new ATOM 159 N SER A 10 -10.835 -12.000 1.570 1.00 0.00 N ATOM 160 CA SER A 10 -10.854 -13.267 0.791 1.00 0.00 C ATOM 161 C SER A 10 -11.291 -14.390 1.734 1.00 0.00 C ATOM 162 O SER A 10 -10.856 -15.521 1.624 1.00 0.00 O ATOM 163 CB SER A 10 -9.453 -13.559 0.247 1.00 0.00 C ATOM 164 OG SER A 10 -9.561 -14.106 -1.060 1.00 0.00 O ATOM 0 H SER A 10 -10.787 -12.125 2.581 1.00 0.00 H new ATOM 0 HA SER A 10 -11.543 -13.189 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.862 -12.644 0.223 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.934 -14.257 0.904 1.00 0.00 H new ATOM 0 HG SER A 10 -8.665 -14.293 -1.412 1.00 0.00 H new ATOM 170 N THR A 11 -12.143 -14.069 2.677 1.00 0.00 N ATOM 171 CA THR A 11 -12.617 -15.083 3.661 1.00 0.00 C ATOM 172 C THR A 11 -14.047 -15.512 3.302 1.00 0.00 C ATOM 173 O THR A 11 -14.475 -15.367 2.172 1.00 0.00 O ATOM 174 CB THR A 11 -12.587 -14.459 5.065 1.00 0.00 C ATOM 175 OG1 THR A 11 -11.616 -13.420 5.105 1.00 0.00 O ATOM 176 CG2 THR A 11 -12.217 -15.520 6.095 1.00 0.00 C ATOM 0 H THR A 11 -12.533 -13.135 2.805 1.00 0.00 H new ATOM 0 HA THR A 11 -11.971 -15.961 3.640 1.00 0.00 H new ATOM 0 HB THR A 11 -13.573 -14.054 5.293 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.250 -13.349 6.011 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.197 -15.072 7.088 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.955 -16.321 6.073 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.233 -15.927 5.861 1.00 0.00 H new ATOM 184 N SER A 12 -14.785 -16.047 4.247 1.00 0.00 N ATOM 185 CA SER A 12 -16.179 -16.493 3.952 1.00 0.00 C ATOM 186 C SER A 12 -17.170 -15.788 4.886 1.00 0.00 C ATOM 187 O SER A 12 -17.843 -14.854 4.497 1.00 0.00 O ATOM 188 CB SER A 12 -16.278 -18.008 4.151 1.00 0.00 C ATOM 189 OG SER A 12 -15.888 -18.335 5.477 1.00 0.00 O ATOM 0 H SER A 12 -14.479 -16.193 5.209 1.00 0.00 H new ATOM 0 HA SER A 12 -16.424 -16.239 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.298 -18.344 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.638 -18.523 3.434 1.00 0.00 H new ATOM 0 HG SER A 12 -15.952 -19.304 5.607 1.00 0.00 H new ATOM 195 N GLN A 13 -17.271 -16.242 6.107 1.00 0.00 N ATOM 196 CA GLN A 13 -18.222 -15.624 7.074 1.00 0.00 C ATOM 197 C GLN A 13 -17.752 -14.208 7.426 1.00 0.00 C ATOM 198 O GLN A 13 -18.295 -13.230 6.948 1.00 0.00 O ATOM 199 CB GLN A 13 -18.268 -16.496 8.336 1.00 0.00 C ATOM 200 CG GLN A 13 -19.710 -16.925 8.623 1.00 0.00 C ATOM 201 CD GLN A 13 -19.783 -17.586 10.001 1.00 0.00 C ATOM 202 OE1 GLN A 13 -20.364 -17.042 10.920 1.00 0.00 O ATOM 203 NE2 GLN A 13 -19.215 -18.747 10.185 1.00 0.00 N ATOM 0 H GLN A 13 -16.729 -17.022 6.478 1.00 0.00 H new ATOM 0 HA GLN A 13 -19.218 -15.560 6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.638 -17.375 8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -17.869 -15.942 9.186 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -20.372 -16.059 8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -20.053 -17.620 7.856 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.727 -19.204 9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -19.259 -19.197 11.099 1.00 0.00 H new ATOM 212 N GLN A 14 -16.745 -14.095 8.254 1.00 0.00 N ATOM 213 CA GLN A 14 -16.229 -12.750 8.638 1.00 0.00 C ATOM 214 C GLN A 14 -14.922 -12.500 7.893 1.00 0.00 C ATOM 215 O GLN A 14 -13.930 -13.150 8.142 1.00 0.00 O ATOM 216 CB GLN A 14 -15.973 -12.713 10.146 1.00 0.00 C ATOM 217 CG GLN A 14 -15.572 -11.296 10.565 1.00 0.00 C ATOM 218 CD GLN A 14 -16.796 -10.559 11.113 1.00 0.00 C ATOM 219 OE1 GLN A 14 -17.373 -9.731 10.437 1.00 0.00 O ATOM 220 NE2 GLN A 14 -17.218 -10.826 12.319 1.00 0.00 N ATOM 0 H GLN A 14 -16.257 -14.882 8.682 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.958 -11.982 8.380 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -16.869 -13.022 10.685 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -15.184 -13.418 10.408 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.790 -11.337 11.323 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.161 -10.756 9.712 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.733 -11.521 12.887 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.032 -10.339 12.694 1.00 0.00 H new ATOM 229 N SER A 15 -14.922 -11.578 6.968 1.00 0.00 N ATOM 230 CA SER A 15 -13.682 -11.292 6.194 1.00 0.00 C ATOM 231 C SER A 15 -13.308 -9.810 6.338 1.00 0.00 C ATOM 232 O SER A 15 -12.176 -9.467 6.619 1.00 0.00 O ATOM 233 CB SER A 15 -13.931 -11.652 4.724 1.00 0.00 C ATOM 234 OG SER A 15 -14.488 -10.537 4.034 1.00 0.00 O ATOM 0 H SER A 15 -15.730 -11.010 6.715 1.00 0.00 H new ATOM 0 HA SER A 15 -12.852 -11.887 6.575 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.996 -11.952 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.608 -12.504 4.660 1.00 0.00 H new ATOM 0 HG SER A 15 -15.182 -10.848 3.416 1.00 0.00 H new ATOM 240 N LEU A 16 -14.262 -8.939 6.141 1.00 0.00 N ATOM 241 CA LEU A 16 -14.000 -7.473 6.253 1.00 0.00 C ATOM 242 C LEU A 16 -13.496 -7.140 7.668 1.00 0.00 C ATOM 243 O LEU A 16 -12.645 -6.289 7.843 1.00 0.00 O ATOM 244 CB LEU A 16 -15.317 -6.731 5.932 1.00 0.00 C ATOM 245 CG LEU A 16 -15.315 -5.293 6.474 1.00 0.00 C ATOM 246 CD1 LEU A 16 -16.082 -4.382 5.515 1.00 0.00 C ATOM 247 CD2 LEU A 16 -15.992 -5.273 7.845 1.00 0.00 C ATOM 0 H LEU A 16 -15.224 -9.184 5.904 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.228 -7.159 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.468 -6.711 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -16.156 -7.279 6.361 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.288 -4.938 6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.079 -3.363 5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.604 -4.400 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.110 -4.733 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.994 -4.255 8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.019 -5.627 7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.447 -5.923 8.529 1.00 0.00 H new ATOM 259 N ASP A 17 -14.020 -7.796 8.669 1.00 0.00 N ATOM 260 CA ASP A 17 -13.580 -7.511 10.066 1.00 0.00 C ATOM 261 C ASP A 17 -12.099 -7.863 10.223 1.00 0.00 C ATOM 262 O ASP A 17 -11.304 -7.063 10.677 1.00 0.00 O ATOM 263 CB ASP A 17 -14.411 -8.350 11.038 1.00 0.00 C ATOM 264 CG ASP A 17 -14.652 -7.558 12.324 1.00 0.00 C ATOM 265 OD1 ASP A 17 -13.686 -7.270 13.010 1.00 0.00 O ATOM 266 OD2 ASP A 17 -15.799 -7.253 12.603 1.00 0.00 O ATOM 0 H ASP A 17 -14.735 -8.518 8.579 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.721 -6.452 10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.363 -8.618 10.580 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.893 -9.282 11.265 1.00 0.00 H new ATOM 271 N ILE A 18 -11.730 -9.063 9.857 1.00 0.00 N ATOM 272 CA ILE A 18 -10.307 -9.497 9.984 1.00 0.00 C ATOM 273 C ILE A 18 -9.397 -8.573 9.162 1.00 0.00 C ATOM 274 O ILE A 18 -8.261 -8.335 9.528 1.00 0.00 O ATOM 275 CB ILE A 18 -10.186 -10.944 9.485 1.00 0.00 C ATOM 276 CG1 ILE A 18 -11.076 -11.842 10.351 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.729 -11.426 9.577 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.611 -13.000 9.507 1.00 0.00 C ATOM 0 H ILE A 18 -12.360 -9.767 9.472 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.996 -9.442 11.027 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.502 -10.991 8.443 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.507 -12.228 11.197 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.904 -11.264 10.761 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.662 -12.453 9.219 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.095 -10.786 8.963 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.395 -11.381 10.614 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.244 -13.638 10.124 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -12.195 -12.605 8.676 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.776 -13.584 9.119 1.00 0.00 H new ATOM 290 N GLN A 19 -9.879 -8.055 8.058 1.00 0.00 N ATOM 291 CA GLN A 19 -9.029 -7.153 7.223 1.00 0.00 C ATOM 292 C GLN A 19 -8.920 -5.782 7.891 1.00 0.00 C ATOM 293 O GLN A 19 -7.834 -5.291 8.127 1.00 0.00 O ATOM 294 CB GLN A 19 -9.643 -6.995 5.832 1.00 0.00 C ATOM 295 CG GLN A 19 -9.191 -8.156 4.943 1.00 0.00 C ATOM 296 CD GLN A 19 -7.693 -8.023 4.655 1.00 0.00 C ATOM 297 OE1 GLN A 19 -7.301 -7.345 3.727 1.00 0.00 O ATOM 298 NE2 GLN A 19 -6.837 -8.648 5.415 1.00 0.00 N ATOM 0 H GLN A 19 -10.821 -8.218 7.701 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.035 -7.591 7.128 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.731 -6.978 5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.337 -6.045 5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.395 -9.107 5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.754 -8.154 4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.167 -9.217 6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.837 -8.568 5.230 1.00 0.00 H new ATOM 307 N VAL A 20 -10.037 -5.160 8.203 1.00 0.00 N ATOM 308 CA VAL A 20 -10.004 -3.810 8.862 1.00 0.00 C ATOM 309 C VAL A 20 -9.086 -3.856 10.092 1.00 0.00 C ATOM 310 O VAL A 20 -8.222 -3.016 10.264 1.00 0.00 O ATOM 311 CB VAL A 20 -11.425 -3.417 9.292 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.406 -2.041 9.966 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.342 -3.369 8.064 1.00 0.00 C ATOM 0 H VAL A 20 -10.972 -5.530 8.029 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.621 -3.072 8.157 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.799 -4.159 9.998 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.418 -1.770 10.268 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.762 -2.075 10.845 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.025 -1.298 9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.349 -3.090 8.373 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.963 -2.633 7.355 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.367 -4.350 7.590 1.00 0.00 H new ATOM 323 N ARG A 21 -9.258 -4.843 10.936 1.00 0.00 N ATOM 324 CA ARG A 21 -8.391 -4.968 12.148 1.00 0.00 C ATOM 325 C ARG A 21 -6.928 -5.043 11.703 1.00 0.00 C ATOM 326 O ARG A 21 -6.035 -4.569 12.380 1.00 0.00 O ATOM 327 CB ARG A 21 -8.751 -6.247 12.916 1.00 0.00 C ATOM 328 CG ARG A 21 -10.270 -6.323 13.140 1.00 0.00 C ATOM 329 CD ARG A 21 -10.585 -6.176 14.630 1.00 0.00 C ATOM 330 NE ARG A 21 -10.577 -4.727 15.003 1.00 0.00 N ATOM 331 CZ ARG A 21 -10.803 -4.335 16.242 1.00 0.00 C ATOM 332 NH1 ARG A 21 -11.045 -5.198 17.203 1.00 0.00 N ATOM 333 NH2 ARG A 21 -10.787 -3.060 16.520 1.00 0.00 N ATOM 0 H ARG A 21 -9.965 -5.571 10.837 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.544 -4.105 12.797 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.414 -7.121 12.359 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.234 -6.262 13.875 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.769 -5.536 12.575 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.654 -7.274 12.770 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.558 -6.614 14.851 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.849 -6.719 15.223 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.393 -4.027 14.284 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.061 -6.197 16.999 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.217 -4.869 18.153 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.601 -2.380 15.783 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.960 -2.744 17.474 1.00 0.00 H new ATOM 347 N ALA A 22 -6.689 -5.625 10.555 1.00 0.00 N ATOM 348 CA ALA A 22 -5.297 -5.728 10.036 1.00 0.00 C ATOM 349 C ALA A 22 -4.819 -4.334 9.633 1.00 0.00 C ATOM 350 O ALA A 22 -3.656 -4.005 9.766 1.00 0.00 O ATOM 351 CB ALA A 22 -5.276 -6.650 8.815 1.00 0.00 C ATOM 0 H ALA A 22 -7.404 -6.035 9.954 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.641 -6.137 10.805 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.258 -6.726 8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.632 -7.640 9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.924 -6.241 8.039 1.00 0.00 H new ATOM 357 N LEU A 23 -5.715 -3.510 9.147 1.00 0.00 N ATOM 358 CA LEU A 23 -5.319 -2.129 8.740 1.00 0.00 C ATOM 359 C LEU A 23 -5.143 -1.281 10.000 1.00 0.00 C ATOM 360 O LEU A 23 -4.178 -0.553 10.138 1.00 0.00 O ATOM 361 CB LEU A 23 -6.398 -1.481 7.843 1.00 0.00 C ATOM 362 CG LEU A 23 -7.058 -2.511 6.902 1.00 0.00 C ATOM 363 CD1 LEU A 23 -7.953 -1.776 5.901 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.993 -3.305 6.133 1.00 0.00 C ATOM 0 H LEU A 23 -6.701 -3.735 9.015 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.389 -2.183 8.174 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.162 -1.020 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.947 -0.685 7.251 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.648 -3.204 7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.422 -2.499 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.724 -1.225 6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.351 -1.080 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.480 -4.025 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.389 -2.621 5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.353 -3.834 6.839 1.00 0.00 H new ATOM 376 N LYS A 24 -6.069 -1.375 10.923 1.00 0.00 N ATOM 377 CA LYS A 24 -5.963 -0.583 12.184 1.00 0.00 C ATOM 378 C LYS A 24 -4.700 -1.009 12.931 1.00 0.00 C ATOM 379 O LYS A 24 -3.961 -0.187 13.443 1.00 0.00 O ATOM 380 CB LYS A 24 -7.200 -0.842 13.057 1.00 0.00 C ATOM 381 CG LYS A 24 -8.063 0.421 13.123 1.00 0.00 C ATOM 382 CD LYS A 24 -9.050 0.431 11.953 1.00 0.00 C ATOM 383 CE LYS A 24 -10.394 -0.134 12.412 1.00 0.00 C ATOM 384 NZ LYS A 24 -10.197 -1.508 12.958 1.00 0.00 N ATOM 0 H LYS A 24 -6.896 -1.969 10.855 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.909 0.481 11.953 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.780 -1.668 12.646 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.893 -1.136 14.061 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.604 0.455 14.069 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.431 1.308 13.086 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.179 1.448 11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.657 -0.163 11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.831 0.512 13.174 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.094 -0.160 11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.123 -1.956 13.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.646 -2.075 12.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.685 -1.452 13.861 1.00 0.00 H new ATOM 398 N ASP A 25 -4.434 -2.291 12.972 1.00 0.00 N ATOM 399 CA ASP A 25 -3.207 -2.787 13.652 1.00 0.00 C ATOM 400 C ASP A 25 -1.991 -2.217 12.928 1.00 0.00 C ATOM 401 O ASP A 25 -0.980 -1.899 13.522 1.00 0.00 O ATOM 402 CB ASP A 25 -3.173 -4.312 13.572 1.00 0.00 C ATOM 403 CG ASP A 25 -2.342 -4.869 14.730 1.00 0.00 C ATOM 404 OD1 ASP A 25 -1.161 -4.570 14.785 1.00 0.00 O ATOM 405 OD2 ASP A 25 -2.902 -5.586 15.543 1.00 0.00 O ATOM 0 H ASP A 25 -5.020 -3.017 12.560 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.201 -2.477 14.697 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.186 -4.711 13.614 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.745 -4.627 12.620 1.00 0.00 H new ATOM 410 N ALA A 26 -2.106 -2.080 11.635 1.00 0.00 N ATOM 411 CA ALA A 26 -0.996 -1.525 10.822 1.00 0.00 C ATOM 412 C ALA A 26 -0.898 -0.020 11.066 1.00 0.00 C ATOM 413 O ALA A 26 0.173 0.558 11.033 1.00 0.00 O ATOM 414 CB ALA A 26 -1.303 -1.782 9.348 1.00 0.00 C ATOM 0 H ALA A 26 -2.938 -2.335 11.103 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.053 -1.997 11.096 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.497 -1.381 8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.391 -2.855 9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.241 -1.294 9.081 1.00 0.00 H new ATOM 420 N GLY A 27 -2.018 0.619 11.294 1.00 0.00 N ATOM 421 CA GLY A 27 -2.015 2.091 11.525 1.00 0.00 C ATOM 422 C GLY A 27 -2.913 2.740 10.477 1.00 0.00 C ATOM 423 O GLY A 27 -2.559 3.727 9.861 1.00 0.00 O ATOM 0 H GLY A 27 -2.938 0.180 11.330 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.375 2.319 12.528 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.001 2.485 11.453 1.00 0.00 H new ATOM 427 N VAL A 28 -4.070 2.174 10.265 1.00 0.00 N ATOM 428 CA VAL A 28 -5.008 2.725 9.250 1.00 0.00 C ATOM 429 C VAL A 28 -6.266 3.244 9.955 1.00 0.00 C ATOM 430 O VAL A 28 -6.793 2.613 10.849 1.00 0.00 O ATOM 431 CB VAL A 28 -5.367 1.607 8.260 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.367 2.112 7.217 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.097 1.141 7.548 1.00 0.00 C ATOM 0 H VAL A 28 -4.407 1.346 10.757 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.547 3.551 8.709 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.818 0.782 8.811 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.609 1.306 6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.276 2.446 7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.929 2.944 6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.345 0.347 6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.654 1.979 7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.385 0.765 8.283 1.00 0.00 H new ATOM 443 N LYS A 29 -6.744 4.393 9.547 1.00 0.00 N ATOM 444 CA LYS A 29 -7.964 4.971 10.177 1.00 0.00 C ATOM 445 C LYS A 29 -9.157 4.054 9.906 1.00 0.00 C ATOM 446 O LYS A 29 -9.408 3.675 8.777 1.00 0.00 O ATOM 447 CB LYS A 29 -8.249 6.344 9.565 1.00 0.00 C ATOM 448 CG LYS A 29 -7.106 7.302 9.895 1.00 0.00 C ATOM 449 CD LYS A 29 -7.277 7.841 11.313 1.00 0.00 C ATOM 450 CE LYS A 29 -8.401 8.880 11.336 1.00 0.00 C ATOM 451 NZ LYS A 29 -9.031 8.897 12.686 1.00 0.00 N ATOM 0 H LYS A 29 -6.337 4.956 8.800 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.805 5.068 11.251 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.361 6.255 8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.189 6.737 9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.150 6.787 9.805 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.093 8.126 9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.509 7.025 11.997 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.345 8.291 11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.005 9.866 11.095 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.147 8.642 10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.795 9.602 12.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.422 7.957 12.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.316 9.143 13.400 1.00 0.00 H new ATOM 465 N ALA A 30 -9.906 3.710 10.925 1.00 0.00 N ATOM 466 CA ALA A 30 -11.096 2.833 10.715 1.00 0.00 C ATOM 467 C ALA A 30 -12.098 3.565 9.822 1.00 0.00 C ATOM 468 O ALA A 30 -12.828 2.956 9.063 1.00 0.00 O ATOM 469 CB ALA A 30 -11.750 2.514 12.058 1.00 0.00 C ATOM 0 H ALA A 30 -9.744 3.998 11.890 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.785 1.902 10.242 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.617 1.874 11.897 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.033 2.000 12.699 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.066 3.440 12.538 1.00 0.00 H new ATOM 475 N ASN A 31 -12.118 4.873 9.896 1.00 0.00 N ATOM 476 CA ASN A 31 -13.048 5.662 9.044 1.00 0.00 C ATOM 477 C ASN A 31 -12.539 5.641 7.597 1.00 0.00 C ATOM 478 O ASN A 31 -13.294 5.835 6.663 1.00 0.00 O ATOM 479 CB ASN A 31 -13.094 7.104 9.565 1.00 0.00 C ATOM 480 CG ASN A 31 -14.547 7.533 9.776 1.00 0.00 C ATOM 481 OD1 ASN A 31 -15.045 8.402 9.088 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.251 6.953 10.708 1.00 0.00 N ATOM 0 H ASN A 31 -11.525 5.427 10.514 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.050 5.234 9.077 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.543 7.179 10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.607 7.773 8.855 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.221 7.229 10.860 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.831 6.224 11.285 1.00 0.00 H new ATOM 489 N ARG A 32 -11.262 5.404 7.406 1.00 0.00 N ATOM 490 CA ARG A 32 -10.694 5.366 6.025 1.00 0.00 C ATOM 491 C ARG A 32 -10.300 3.923 5.698 1.00 0.00 C ATOM 492 O ARG A 32 -9.158 3.627 5.393 1.00 0.00 O ATOM 493 CB ARG A 32 -9.456 6.279 5.922 1.00 0.00 C ATOM 494 CG ARG A 32 -9.633 7.542 6.779 1.00 0.00 C ATOM 495 CD ARG A 32 -8.322 8.326 6.814 1.00 0.00 C ATOM 496 NE ARG A 32 -8.521 9.593 7.584 1.00 0.00 N ATOM 497 CZ ARG A 32 -9.147 10.626 7.057 1.00 0.00 C ATOM 498 NH1 ARG A 32 -9.624 10.592 5.833 1.00 0.00 N ATOM 499 NH2 ARG A 32 -9.299 11.709 7.769 1.00 0.00 N ATOM 0 H ARG A 32 -10.588 5.235 8.153 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.442 5.723 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.570 5.735 6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.292 6.561 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.429 8.163 6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.932 7.268 7.791 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.539 7.726 7.277 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.993 8.552 5.800 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.165 9.659 8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.514 9.751 5.266 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.104 11.406 5.450 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.935 11.749 8.721 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.782 12.516 7.373 1.00 0.00 H new ATOM 513 N ILE A 33 -11.247 3.025 5.759 1.00 0.00 N ATOM 514 CA ILE A 33 -10.958 1.595 5.457 1.00 0.00 C ATOM 515 C ILE A 33 -11.650 1.216 4.145 1.00 0.00 C ATOM 516 O ILE A 33 -12.806 0.837 4.131 1.00 0.00 O ATOM 517 CB ILE A 33 -11.489 0.721 6.605 1.00 0.00 C ATOM 518 CG1 ILE A 33 -10.772 1.104 7.908 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.254 -0.767 6.298 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.272 0.802 7.805 1.00 0.00 C ATOM 0 H ILE A 33 -12.216 3.224 6.007 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.884 1.439 5.357 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.561 0.888 6.714 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -10.922 2.164 8.115 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.203 0.552 8.743 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.635 -1.373 7.120 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.774 -1.035 5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.186 -0.949 6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.780 1.080 8.737 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.127 -0.263 7.621 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.841 1.374 6.983 1.00 0.00 H new ATOM 532 N PHE A 34 -10.947 1.313 3.045 1.00 0.00 N ATOM 533 CA PHE A 34 -11.557 0.958 1.731 1.00 0.00 C ATOM 534 C PHE A 34 -11.384 -0.541 1.487 1.00 0.00 C ATOM 535 O PHE A 34 -10.545 -0.965 0.714 1.00 0.00 O ATOM 536 CB PHE A 34 -10.875 1.754 0.615 1.00 0.00 C ATOM 537 CG PHE A 34 -11.679 2.998 0.323 1.00 0.00 C ATOM 538 CD1 PHE A 34 -12.769 2.936 -0.553 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.339 4.212 0.933 1.00 0.00 C ATOM 540 CE1 PHE A 34 -13.520 4.088 -0.820 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.091 5.363 0.667 1.00 0.00 C ATOM 542 CZ PHE A 34 -13.181 5.300 -0.209 1.00 0.00 C ATOM 0 H PHE A 34 -9.976 1.623 3.002 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.619 1.203 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.862 2.024 0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.791 1.143 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.031 2.000 -1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.497 4.260 1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.360 4.041 -1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.830 6.299 1.138 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.761 6.188 -0.413 1.00 0.00 H new ATOM 552 N THR A 35 -12.174 -1.340 2.151 1.00 0.00 N ATOM 553 CA THR A 35 -12.076 -2.818 1.982 1.00 0.00 C ATOM 554 C THR A 35 -12.891 -3.253 0.764 1.00 0.00 C ATOM 555 O THR A 35 -13.795 -2.563 0.333 1.00 0.00 O ATOM 556 CB THR A 35 -12.628 -3.507 3.234 1.00 0.00 C ATOM 557 OG1 THR A 35 -12.652 -4.914 3.028 1.00 0.00 O ATOM 558 CG2 THR A 35 -14.051 -3.011 3.519 1.00 0.00 C ATOM 0 H THR A 35 -12.889 -1.029 2.809 1.00 0.00 H new ATOM 0 HA THR A 35 -11.033 -3.098 1.836 1.00 0.00 H new ATOM 0 HB THR A 35 -11.988 -3.270 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.761 -5.220 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.437 -3.505 4.411 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.035 -1.933 3.680 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.694 -3.242 2.669 1.00 0.00 H new ATOM 566 N ASP A 36 -12.578 -4.397 0.214 1.00 0.00 N ATOM 567 CA ASP A 36 -13.328 -4.897 -0.975 1.00 0.00 C ATOM 568 C ASP A 36 -14.049 -6.192 -0.596 1.00 0.00 C ATOM 569 O ASP A 36 -13.424 -7.197 -0.317 1.00 0.00 O ATOM 570 CB ASP A 36 -12.344 -5.164 -2.121 1.00 0.00 C ATOM 571 CG ASP A 36 -12.488 -4.082 -3.190 1.00 0.00 C ATOM 572 OD1 ASP A 36 -13.608 -3.833 -3.607 1.00 0.00 O ATOM 573 OD2 ASP A 36 -11.477 -3.517 -3.575 1.00 0.00 O ATOM 0 H ASP A 36 -11.830 -5.010 0.540 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.057 -4.154 -1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.323 -5.178 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.535 -6.145 -2.556 1.00 0.00 H new ATOM 578 N LYS A 37 -15.359 -6.174 -0.586 1.00 0.00 N ATOM 579 CA LYS A 37 -16.125 -7.404 -0.225 1.00 0.00 C ATOM 580 C LYS A 37 -16.008 -8.421 -1.365 1.00 0.00 C ATOM 581 O LYS A 37 -16.958 -8.688 -2.076 1.00 0.00 O ATOM 582 CB LYS A 37 -17.598 -7.047 0.003 1.00 0.00 C ATOM 583 CG LYS A 37 -17.705 -5.907 1.018 1.00 0.00 C ATOM 584 CD LYS A 37 -17.236 -6.388 2.394 1.00 0.00 C ATOM 585 CE LYS A 37 -18.196 -7.456 2.931 1.00 0.00 C ATOM 586 NZ LYS A 37 -17.567 -8.802 2.806 1.00 0.00 N ATOM 0 H LYS A 37 -15.930 -5.360 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.718 -7.834 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.060 -6.752 -0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.141 -7.920 0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.099 -5.061 0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.736 -5.557 1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.228 -6.797 2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.190 -5.547 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.437 -7.251 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.134 -7.429 2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.111 -9.378 2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.591 -8.698 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.560 -9.269 3.735 1.00 0.00 H new ATOM 600 N ALA A 38 -14.841 -8.984 -1.541 1.00 0.00 N ATOM 601 CA ALA A 38 -14.637 -9.982 -2.632 1.00 0.00 C ATOM 602 C ALA A 38 -15.460 -11.238 -2.339 1.00 0.00 C ATOM 603 O ALA A 38 -15.904 -11.924 -3.240 1.00 0.00 O ATOM 604 CB ALA A 38 -13.155 -10.348 -2.711 1.00 0.00 C ATOM 0 H ALA A 38 -14.016 -8.794 -0.972 1.00 0.00 H new ATOM 0 HA ALA A 38 -14.959 -9.555 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.002 -11.077 -3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.570 -9.453 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.835 -10.776 -1.761 1.00 0.00 H new ATOM 661 N ASP A 44 -15.519 -7.948 -5.956 1.00 0.00 N ATOM 662 CA ASP A 44 -15.688 -6.508 -5.608 1.00 0.00 C ATOM 663 C ASP A 44 -14.332 -5.805 -5.676 1.00 0.00 C ATOM 664 O ASP A 44 -13.471 -6.022 -4.845 1.00 0.00 O ATOM 665 CB ASP A 44 -16.247 -6.384 -4.189 1.00 0.00 C ATOM 666 CG ASP A 44 -17.769 -6.548 -4.222 1.00 0.00 C ATOM 667 OD1 ASP A 44 -18.445 -5.561 -4.460 1.00 0.00 O ATOM 668 OD2 ASP A 44 -18.230 -7.656 -4.006 1.00 0.00 O ATOM 0 HA ASP A 44 -16.378 -6.046 -6.314 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.803 -7.143 -3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.984 -5.414 -3.767 1.00 0.00 H new ATOM 673 N ARG A 45 -14.142 -4.964 -6.657 1.00 0.00 N ATOM 674 CA ARG A 45 -12.846 -4.235 -6.788 1.00 0.00 C ATOM 675 C ARG A 45 -13.115 -2.728 -6.807 1.00 0.00 C ATOM 676 O ARG A 45 -12.519 -1.990 -7.569 1.00 0.00 O ATOM 677 CB ARG A 45 -12.152 -4.652 -8.088 1.00 0.00 C ATOM 678 CG ARG A 45 -11.743 -6.124 -7.997 1.00 0.00 C ATOM 679 CD ARG A 45 -10.792 -6.463 -9.147 1.00 0.00 C ATOM 680 NE ARG A 45 -9.426 -5.938 -8.834 1.00 0.00 N ATOM 681 CZ ARG A 45 -8.358 -6.379 -9.469 1.00 0.00 C ATOM 682 NH1 ARG A 45 -8.442 -7.295 -10.405 1.00 0.00 N ATOM 683 NH2 ARG A 45 -7.187 -5.891 -9.159 1.00 0.00 N ATOM 0 H ARG A 45 -14.832 -4.749 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.201 -4.479 -5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.821 -4.501 -8.935 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -11.274 -4.029 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.258 -6.319 -7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.626 -6.761 -8.042 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.754 -7.542 -9.296 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.157 -6.026 -10.076 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.319 -5.224 -8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.350 -7.684 -10.658 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.599 -7.618 -10.880 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.107 -5.178 -8.434 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.352 -6.223 -9.642 1.00 0.00 H new ATOM 697 N LYS A 46 -14.013 -2.273 -5.973 1.00 0.00 N ATOM 698 CA LYS A 46 -14.339 -0.814 -5.929 1.00 0.00 C ATOM 699 C LYS A 46 -13.410 -0.101 -4.937 1.00 0.00 C ATOM 700 O LYS A 46 -13.234 1.100 -4.998 1.00 0.00 O ATOM 701 CB LYS A 46 -15.793 -0.619 -5.479 1.00 0.00 C ATOM 702 CG LYS A 46 -16.715 -1.560 -6.260 1.00 0.00 C ATOM 703 CD LYS A 46 -18.142 -1.011 -6.244 1.00 0.00 C ATOM 704 CE LYS A 46 -18.684 -1.038 -4.814 1.00 0.00 C ATOM 705 NZ LYS A 46 -20.163 -1.222 -4.848 1.00 0.00 N ATOM 0 H LYS A 46 -14.538 -2.851 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.203 -0.394 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.881 -0.815 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.096 0.416 -5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.364 -1.659 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.693 -2.556 -5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.155 0.008 -6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -18.779 -1.607 -6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.219 -1.848 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -18.434 -0.109 -4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.533 -1.241 -3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.599 -0.435 -5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.390 -2.119 -5.322 1.00 0.00 H new ATOM 719 N GLY A 47 -12.822 -0.831 -4.018 1.00 0.00 N ATOM 720 CA GLY A 47 -11.911 -0.205 -3.010 1.00 0.00 C ATOM 721 C GLY A 47 -10.808 0.596 -3.711 1.00 0.00 C ATOM 722 O GLY A 47 -10.854 1.807 -3.760 1.00 0.00 O ATOM 0 H GLY A 47 -12.936 -1.840 -3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.482 0.450 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.466 -0.978 -2.383 1.00 0.00 H new ATOM 726 N LEU A 48 -9.807 -0.071 -4.243 1.00 0.00 N ATOM 727 CA LEU A 48 -8.684 0.669 -4.934 1.00 0.00 C ATOM 728 C LEU A 48 -9.268 1.618 -5.991 1.00 0.00 C ATOM 729 O LEU A 48 -8.698 2.653 -6.286 1.00 0.00 O ATOM 730 CB LEU A 48 -7.661 -0.275 -5.630 1.00 0.00 C ATOM 731 CG LEU A 48 -8.206 -1.694 -5.846 1.00 0.00 C ATOM 732 CD1 LEU A 48 -9.503 -1.634 -6.657 1.00 0.00 C ATOM 733 CD2 LEU A 48 -7.171 -2.514 -6.618 1.00 0.00 C ATOM 0 H LEU A 48 -9.714 -1.087 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.151 1.217 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.379 0.151 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.755 -0.328 -5.027 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.405 -2.156 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.885 -2.644 -6.807 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.243 -1.043 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.306 -1.173 -7.625 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.551 -3.524 -6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.980 -2.044 -7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.244 -2.560 -6.047 1.00 0.00 H new ATOM 745 N ASP A 49 -10.400 1.274 -6.553 1.00 0.00 N ATOM 746 CA ASP A 49 -11.027 2.156 -7.583 1.00 0.00 C ATOM 747 C ASP A 49 -11.404 3.488 -6.935 1.00 0.00 C ATOM 748 O ASP A 49 -10.993 4.544 -7.380 1.00 0.00 O ATOM 749 CB ASP A 49 -12.284 1.481 -8.138 1.00 0.00 C ATOM 750 CG ASP A 49 -11.911 0.619 -9.345 1.00 0.00 C ATOM 751 OD1 ASP A 49 -11.358 -0.449 -9.139 1.00 0.00 O ATOM 752 OD2 ASP A 49 -12.186 1.042 -10.456 1.00 0.00 O ATOM 0 H ASP A 49 -10.917 0.420 -6.342 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.324 2.329 -8.398 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.749 0.865 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.016 2.235 -8.428 1.00 0.00 H new ATOM 757 N LEU A 50 -12.171 3.441 -5.877 1.00 0.00 N ATOM 758 CA LEU A 50 -12.570 4.696 -5.176 1.00 0.00 C ATOM 759 C LEU A 50 -11.355 5.258 -4.434 1.00 0.00 C ATOM 760 O LEU A 50 -11.216 6.454 -4.262 1.00 0.00 O ATOM 761 CB LEU A 50 -13.688 4.386 -4.179 1.00 0.00 C ATOM 762 CG LEU A 50 -14.838 3.685 -4.904 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.759 3.019 -3.880 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.633 4.713 -5.711 1.00 0.00 C ATOM 0 H LEU A 50 -12.540 2.583 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.928 5.429 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.309 3.752 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.043 5.307 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.435 2.927 -5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.578 2.520 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.193 2.286 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -16.163 3.776 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.453 4.214 -6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.035 5.471 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.978 5.187 -6.442 1.00 0.00 H new ATOM 776 N LEU A 51 -10.465 4.396 -4.005 1.00 0.00 N ATOM 777 CA LEU A 51 -9.242 4.853 -3.284 1.00 0.00 C ATOM 778 C LEU A 51 -8.429 5.763 -4.209 1.00 0.00 C ATOM 779 O LEU A 51 -7.800 6.707 -3.772 1.00 0.00 O ATOM 780 CB LEU A 51 -8.402 3.629 -2.898 1.00 0.00 C ATOM 781 CG LEU A 51 -7.504 3.966 -1.705 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.352 4.051 -0.433 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.449 2.872 -1.539 1.00 0.00 C ATOM 0 H LEU A 51 -10.537 3.386 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.520 5.402 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.056 2.793 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.793 3.314 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.014 4.924 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.712 4.291 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.106 4.829 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.843 3.093 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.808 3.110 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.941 1.915 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.844 2.810 -2.444 1.00 0.00 H new ATOM 795 N ARG A 52 -8.454 5.484 -5.488 1.00 0.00 N ATOM 796 CA ARG A 52 -7.702 6.328 -6.459 1.00 0.00 C ATOM 797 C ARG A 52 -8.328 7.726 -6.502 1.00 0.00 C ATOM 798 O ARG A 52 -7.657 8.705 -6.766 1.00 0.00 O ATOM 799 CB ARG A 52 -7.767 5.690 -7.849 1.00 0.00 C ATOM 800 CG ARG A 52 -6.678 4.619 -7.971 1.00 0.00 C ATOM 801 CD ARG A 52 -7.180 3.479 -8.860 1.00 0.00 C ATOM 802 NE ARG A 52 -7.573 4.022 -10.197 1.00 0.00 N ATOM 803 CZ ARG A 52 -8.088 3.244 -11.131 1.00 0.00 C ATOM 804 NH1 ARG A 52 -8.274 1.959 -10.930 1.00 0.00 N ATOM 805 NH2 ARG A 52 -8.417 3.764 -12.281 1.00 0.00 N ATOM 0 H ARG A 52 -8.966 4.704 -5.901 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.660 6.405 -6.149 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.749 5.246 -8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.631 6.451 -8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.772 5.053 -8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.417 4.237 -6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.401 2.725 -8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.032 2.987 -8.391 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.440 5.014 -10.391 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.019 1.541 -10.036 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.674 1.380 -11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.275 4.760 -12.450 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.816 3.175 -13.012 1.00 0.00 H new ATOM 819 N MET A 53 -9.607 7.822 -6.236 1.00 0.00 N ATOM 820 CA MET A 53 -10.284 9.156 -6.251 1.00 0.00 C ATOM 821 C MET A 53 -10.612 9.592 -4.815 1.00 0.00 C ATOM 822 O MET A 53 -11.420 10.477 -4.604 1.00 0.00 O ATOM 823 CB MET A 53 -11.588 9.076 -7.059 1.00 0.00 C ATOM 824 CG MET A 53 -12.387 7.834 -6.654 1.00 0.00 C ATOM 825 SD MET A 53 -14.052 7.930 -7.356 1.00 0.00 S ATOM 826 CE MET A 53 -14.875 8.622 -5.899 1.00 0.00 C ATOM 0 H MET A 53 -10.212 7.033 -6.009 1.00 0.00 H new ATOM 0 HA MET A 53 -9.613 9.882 -6.711 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.185 9.972 -6.889 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.362 9.040 -8.125 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.884 6.934 -7.007 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.443 7.763 -5.568 1.00 0.00 H new ATOM 0 HE1 MET A 53 -15.934 8.766 -6.113 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.765 7.936 -5.059 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.422 9.581 -5.647 1.00 0.00 H new ATOM 836 N LYS A 54 -9.999 8.980 -3.827 1.00 0.00 N ATOM 837 CA LYS A 54 -10.285 9.362 -2.411 1.00 0.00 C ATOM 838 C LYS A 54 -8.995 9.815 -1.719 1.00 0.00 C ATOM 839 O LYS A 54 -9.011 10.699 -0.883 1.00 0.00 O ATOM 840 CB LYS A 54 -10.868 8.158 -1.667 1.00 0.00 C ATOM 841 CG LYS A 54 -12.399 8.229 -1.694 1.00 0.00 C ATOM 842 CD LYS A 54 -12.906 8.836 -0.382 1.00 0.00 C ATOM 843 CE LYS A 54 -14.160 9.669 -0.654 1.00 0.00 C ATOM 844 NZ LYS A 54 -13.763 11.067 -0.983 1.00 0.00 N ATOM 0 H LYS A 54 -9.314 8.233 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.002 10.183 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.529 7.232 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.512 8.147 -0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.731 8.833 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.817 7.232 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.130 8.045 0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.132 9.460 0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.726 9.236 -1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.812 9.660 0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.614 11.635 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.241 11.477 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.157 11.066 -1.828 1.00 0.00 H new ATOM 858 N VAL A 55 -7.878 9.218 -2.058 1.00 0.00 N ATOM 859 CA VAL A 55 -6.581 9.609 -1.420 1.00 0.00 C ATOM 860 C VAL A 55 -6.324 11.104 -1.635 1.00 0.00 C ATOM 861 O VAL A 55 -6.673 11.660 -2.659 1.00 0.00 O ATOM 862 CB VAL A 55 -5.441 8.801 -2.044 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.592 7.320 -1.670 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.483 8.959 -3.568 1.00 0.00 C ATOM 0 H VAL A 55 -7.808 8.474 -2.752 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.632 9.404 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.486 9.167 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.779 6.747 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.559 7.213 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.546 6.946 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.672 8.385 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.438 8.594 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.369 10.011 -3.828 1.00 0.00 H new ATOM 874 N GLU A 56 -5.717 11.753 -0.673 1.00 0.00 N ATOM 875 CA GLU A 56 -5.436 13.211 -0.811 1.00 0.00 C ATOM 876 C GLU A 56 -3.971 13.413 -1.202 1.00 0.00 C ATOM 877 O GLU A 56 -3.169 12.501 -1.127 1.00 0.00 O ATOM 878 CB GLU A 56 -5.712 13.910 0.523 1.00 0.00 C ATOM 879 CG GLU A 56 -6.292 15.302 0.261 1.00 0.00 C ATOM 880 CD GLU A 56 -7.131 15.741 1.462 1.00 0.00 C ATOM 881 OE1 GLU A 56 -6.755 15.409 2.574 1.00 0.00 O ATOM 882 OE2 GLU A 56 -8.136 16.398 1.249 1.00 0.00 O ATOM 0 H GLU A 56 -5.404 11.333 0.203 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.078 13.635 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.410 13.320 1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.791 13.991 1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.487 16.016 0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.906 15.288 -0.639 1.00 0.00 H new ATOM 889 N GLU A 57 -3.620 14.601 -1.620 1.00 0.00 N ATOM 890 CA GLU A 57 -2.209 14.876 -2.019 1.00 0.00 C ATOM 891 C GLU A 57 -1.296 14.737 -0.800 1.00 0.00 C ATOM 892 O GLU A 57 -1.363 15.523 0.127 1.00 0.00 O ATOM 893 CB GLU A 57 -2.105 16.296 -2.576 1.00 0.00 C ATOM 894 CG GLU A 57 -0.929 16.380 -3.549 1.00 0.00 C ATOM 895 CD GLU A 57 -0.727 17.832 -3.985 1.00 0.00 C ATOM 896 OE1 GLU A 57 -1.568 18.331 -4.712 1.00 0.00 O ATOM 897 OE2 GLU A 57 0.265 18.418 -3.583 1.00 0.00 O ATOM 0 H GLU A 57 -4.254 15.396 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.902 14.162 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.031 16.567 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.968 17.008 -1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.023 16.003 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.118 15.751 -4.419 1.00 0.00 H new ATOM 904 N GLY A 58 -0.445 13.746 -0.799 1.00 0.00 N ATOM 905 CA GLY A 58 0.479 13.543 0.354 1.00 0.00 C ATOM 906 C GLY A 58 -0.154 12.585 1.368 1.00 0.00 C ATOM 907 O GLY A 58 0.185 12.599 2.537 1.00 0.00 O ATOM 0 H GLY A 58 -0.350 13.065 -1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.429 13.139 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.696 14.499 0.830 1.00 0.00 H new ATOM 911 N ASP A 59 -1.066 11.750 0.932 1.00 0.00 N ATOM 912 CA ASP A 59 -1.717 10.789 1.872 1.00 0.00 C ATOM 913 C ASP A 59 -0.982 9.448 1.815 1.00 0.00 C ATOM 914 O ASP A 59 -0.125 9.238 0.978 1.00 0.00 O ATOM 915 CB ASP A 59 -3.178 10.590 1.463 1.00 0.00 C ATOM 916 CG ASP A 59 -4.063 11.607 2.190 1.00 0.00 C ATOM 917 OD1 ASP A 59 -3.579 12.689 2.480 1.00 0.00 O ATOM 918 OD2 ASP A 59 -5.214 11.287 2.441 1.00 0.00 O ATOM 0 H ASP A 59 -1.387 11.694 -0.035 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.675 11.184 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.283 10.708 0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.498 9.577 1.705 1.00 0.00 H new ATOM 923 N VAL A 60 -1.311 8.539 2.700 1.00 0.00 N ATOM 924 CA VAL A 60 -0.629 7.206 2.698 1.00 0.00 C ATOM 925 C VAL A 60 -1.659 6.090 2.456 1.00 0.00 C ATOM 926 O VAL A 60 -2.807 6.195 2.846 1.00 0.00 O ATOM 927 CB VAL A 60 0.141 6.984 4.032 1.00 0.00 C ATOM 928 CG1 VAL A 60 0.802 8.292 4.485 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.813 6.511 5.146 1.00 0.00 C ATOM 0 H VAL A 60 -2.021 8.661 3.422 1.00 0.00 H new ATOM 0 HA VAL A 60 0.100 7.181 1.888 1.00 0.00 H new ATOM 0 HB VAL A 60 0.898 6.221 3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.338 8.124 5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.502 8.630 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.036 9.053 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.251 6.363 6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.584 7.264 5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.280 5.571 4.851 1.00 0.00 H new ATOM 939 N ILE A 61 -1.242 5.025 1.823 1.00 0.00 N ATOM 940 CA ILE A 61 -2.168 3.890 1.553 1.00 0.00 C ATOM 941 C ILE A 61 -1.553 2.611 2.127 1.00 0.00 C ATOM 942 O ILE A 61 -0.736 1.964 1.497 1.00 0.00 O ATOM 943 CB ILE A 61 -2.366 3.760 0.037 1.00 0.00 C ATOM 944 CG1 ILE A 61 -3.027 5.038 -0.487 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.262 2.559 -0.285 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.757 5.178 -1.985 1.00 0.00 C ATOM 0 H ILE A 61 -0.291 4.894 1.479 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.137 4.061 2.021 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.397 3.612 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.101 5.006 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.638 5.906 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.392 2.481 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.798 1.647 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.234 2.693 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.228 6.088 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.682 5.230 -2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.168 4.316 -2.511 1.00 0.00 H new ATOM 958 N LEU A 62 -1.933 2.253 3.326 1.00 0.00 N ATOM 959 CA LEU A 62 -1.374 1.027 3.967 1.00 0.00 C ATOM 960 C LEU A 62 -2.065 -0.215 3.396 1.00 0.00 C ATOM 961 O LEU A 62 -3.256 -0.216 3.150 1.00 0.00 O ATOM 962 CB LEU A 62 -1.615 1.098 5.476 1.00 0.00 C ATOM 963 CG LEU A 62 -0.411 0.514 6.217 1.00 0.00 C ATOM 964 CD1 LEU A 62 -0.269 1.196 7.579 1.00 0.00 C ATOM 965 CD2 LEU A 62 -0.623 -0.986 6.417 1.00 0.00 C ATOM 0 H LEU A 62 -2.612 2.762 3.892 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.304 0.965 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.775 2.132 5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.518 0.546 5.736 1.00 0.00 H new ATOM 0 HG LEU A 62 0.494 0.681 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.589 0.780 8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.123 2.267 7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.172 1.028 8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.233 -1.407 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.528 -1.151 7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.726 -1.472 5.447 1.00 0.00 H new ATOM 977 N VAL A 63 -1.320 -1.271 3.187 1.00 0.00 N ATOM 978 CA VAL A 63 -1.919 -2.524 2.639 1.00 0.00 C ATOM 979 C VAL A 63 -1.369 -3.724 3.414 1.00 0.00 C ATOM 980 O VAL A 63 -0.210 -4.076 3.287 1.00 0.00 O ATOM 981 CB VAL A 63 -1.560 -2.657 1.157 1.00 0.00 C ATOM 982 CG1 VAL A 63 -2.273 -3.872 0.564 1.00 0.00 C ATOM 983 CG2 VAL A 63 -2.004 -1.395 0.412 1.00 0.00 C ATOM 0 H VAL A 63 -0.318 -1.318 3.373 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.004 -2.490 2.742 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.482 -2.783 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.016 -3.965 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.961 -4.772 1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.351 -3.747 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.749 -1.487 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.082 -1.271 0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.497 -0.527 0.833 1.00 0.00 H new ATOM 1207 N ILE A 77 0.772 -2.834 -9.837 1.00 0.00 N ATOM 1208 CA ILE A 77 1.587 -1.675 -10.295 1.00 0.00 C ATOM 1209 C ILE A 77 0.658 -0.552 -10.773 1.00 0.00 C ATOM 1210 O ILE A 77 1.017 0.605 -10.731 1.00 0.00 O ATOM 1211 CB ILE A 77 2.499 -2.126 -11.447 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.482 -3.181 -10.931 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.283 -0.931 -12.004 1.00 0.00 C ATOM 1214 CD1 ILE A 77 2.919 -4.579 -11.198 1.00 0.00 C ATOM 0 HA ILE A 77 2.198 -1.304 -9.472 1.00 0.00 H new ATOM 0 HB ILE A 77 1.884 -2.548 -12.242 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.447 -3.066 -11.424 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.652 -3.044 -9.863 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.925 -1.265 -12.819 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.586 -0.180 -12.375 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.896 -0.498 -11.214 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.619 -5.329 -10.831 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.964 -4.691 -10.684 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.772 -4.714 -12.270 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.519 -0.885 -11.238 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.458 0.166 -11.737 1.00 0.00 C ATOM 1228 C GLN A 78 -1.790 1.161 -10.620 1.00 0.00 C ATOM 1229 O GLN A 78 -1.310 2.279 -10.618 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.745 -0.499 -12.246 1.00 0.00 C ATOM 1231 CG GLN A 78 -3.048 -0.030 -13.672 1.00 0.00 C ATOM 1232 CD GLN A 78 -1.947 -0.515 -14.617 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -1.420 -1.597 -14.451 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -1.577 0.246 -15.611 1.00 0.00 N ATOM 0 H GLN A 78 -0.871 -1.841 -11.294 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.982 0.709 -12.553 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.636 -1.583 -12.226 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.578 -0.250 -11.588 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.015 -0.417 -13.995 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.114 1.058 -13.702 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.020 1.154 -15.750 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.845 -0.068 -16.249 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.617 0.772 -9.679 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.991 1.712 -8.574 1.00 0.00 C ATOM 1245 C LEU A 79 -1.732 2.162 -7.815 1.00 0.00 C ATOM 1246 O LEU A 79 -1.654 3.278 -7.339 1.00 0.00 O ATOM 1247 CB LEU A 79 -4.009 1.041 -7.622 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.363 -0.071 -6.776 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -4.228 -0.331 -5.543 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -3.263 -1.359 -7.597 1.00 0.00 C ATOM 0 H LEU A 79 -3.048 -0.151 -9.628 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.463 2.596 -9.002 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.439 1.795 -6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.829 0.622 -8.205 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.364 0.243 -6.473 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.775 -1.118 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.302 0.582 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.224 -0.642 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.805 -2.141 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.261 -1.674 -7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.652 -1.180 -8.482 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.744 1.306 -7.716 1.00 0.00 N ATOM 1263 CA ILE A 80 0.511 1.688 -7.005 1.00 0.00 C ATOM 1264 C ILE A 80 1.229 2.766 -7.833 1.00 0.00 C ATOM 1265 O ILE A 80 1.928 3.604 -7.294 1.00 0.00 O ATOM 1266 CB ILE A 80 1.394 0.429 -6.815 1.00 0.00 C ATOM 1267 CG1 ILE A 80 0.889 -0.352 -5.596 1.00 0.00 C ATOM 1268 CG2 ILE A 80 2.868 0.804 -6.578 1.00 0.00 C ATOM 1269 CD1 ILE A 80 -0.263 -1.279 -5.996 1.00 0.00 C ATOM 0 H ILE A 80 -0.755 0.360 -8.097 1.00 0.00 H new ATOM 0 HA ILE A 80 0.294 2.095 -6.017 1.00 0.00 H new ATOM 0 HB ILE A 80 1.330 -0.171 -7.722 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.703 -0.937 -5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.555 0.342 -4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.458 -0.103 -6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.244 1.362 -7.435 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.947 1.419 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.610 -1.826 -5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.083 -0.686 -6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.083 -1.985 -6.751 1.00 0.00 H new ATOM 1281 N LYS A 81 1.048 2.757 -9.131 1.00 0.00 N ATOM 1282 CA LYS A 81 1.699 3.777 -9.984 1.00 0.00 C ATOM 1283 C LYS A 81 0.767 5.000 -10.044 1.00 0.00 C ATOM 1284 O LYS A 81 1.215 6.127 -10.125 1.00 0.00 O ATOM 1285 CB LYS A 81 1.935 3.161 -11.377 1.00 0.00 C ATOM 1286 CG LYS A 81 2.169 4.242 -12.432 1.00 0.00 C ATOM 1287 CD LYS A 81 0.813 4.651 -13.022 1.00 0.00 C ATOM 1288 CE LYS A 81 0.760 4.308 -14.515 1.00 0.00 C ATOM 1289 NZ LYS A 81 0.245 5.481 -15.278 1.00 0.00 N ATOM 0 H LYS A 81 0.472 2.080 -9.631 1.00 0.00 H new ATOM 0 HA LYS A 81 2.663 4.095 -9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.796 2.494 -11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.074 2.555 -11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.664 5.105 -11.986 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.826 3.868 -13.217 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.009 4.137 -12.495 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.655 5.720 -12.881 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.754 4.037 -14.872 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.116 3.444 -14.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.209 5.248 -16.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.710 5.720 -14.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.876 6.294 -15.132 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.524 4.774 -9.980 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.488 5.909 -10.007 1.00 0.00 C ATOM 1305 C GLU A 82 -1.287 6.741 -8.741 1.00 0.00 C ATOM 1306 O GLU A 82 -1.191 7.952 -8.790 1.00 0.00 O ATOM 1307 CB GLU A 82 -2.919 5.365 -10.045 1.00 0.00 C ATOM 1308 CG GLU A 82 -3.810 6.327 -10.831 1.00 0.00 C ATOM 1309 CD GLU A 82 -3.654 6.060 -12.330 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -4.160 5.049 -12.786 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -3.031 6.872 -12.994 1.00 0.00 O ATOM 0 H GLU A 82 -0.948 3.849 -9.910 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.321 6.525 -10.891 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.932 4.379 -10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.301 5.245 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.851 6.199 -10.535 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.538 7.358 -10.604 1.00 0.00 H new ATOM 1318 N PHE A 83 -1.197 6.087 -7.609 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.975 6.820 -6.330 1.00 0.00 C ATOM 1320 C PHE A 83 0.410 7.463 -6.379 1.00 0.00 C ATOM 1321 O PHE A 83 0.628 8.541 -5.860 1.00 0.00 O ATOM 1322 CB PHE A 83 -1.034 5.837 -5.156 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.453 5.360 -4.957 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.486 6.289 -4.796 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.733 3.989 -4.925 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.800 5.847 -4.606 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -4.046 3.547 -4.736 1.00 0.00 C ATOM 1328 CZ PHE A 83 -5.081 4.475 -4.576 1.00 0.00 C ATOM 0 H PHE A 83 -1.268 5.074 -7.518 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.744 7.581 -6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.379 4.987 -5.348 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.672 6.319 -4.248 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.270 7.347 -4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.934 3.272 -5.046 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.598 6.564 -4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.261 2.489 -4.713 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.095 4.134 -4.430 1.00 0.00 H new ATOM 1338 N ASP A 84 1.344 6.800 -7.009 1.00 0.00 N ATOM 1339 CA ASP A 84 2.726 7.345 -7.120 1.00 0.00 C ATOM 1340 C ASP A 84 2.688 8.668 -7.886 1.00 0.00 C ATOM 1341 O ASP A 84 3.402 9.601 -7.574 1.00 0.00 O ATOM 1342 CB ASP A 84 3.597 6.342 -7.880 1.00 0.00 C ATOM 1343 CG ASP A 84 5.070 6.589 -7.551 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.470 6.267 -6.443 1.00 0.00 O ATOM 1345 OD2 ASP A 84 5.773 7.094 -8.411 1.00 0.00 O ATOM 0 H ASP A 84 1.205 5.894 -7.456 1.00 0.00 H new ATOM 0 HA ASP A 84 3.139 7.513 -6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.319 5.324 -7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.432 6.441 -8.953 1.00 0.00 H new ATOM 1350 N ALA A 85 1.851 8.745 -8.889 1.00 0.00 N ATOM 1351 CA ALA A 85 1.747 9.998 -9.694 1.00 0.00 C ATOM 1352 C ALA A 85 0.839 11.006 -8.980 1.00 0.00 C ATOM 1353 O ALA A 85 0.912 12.195 -9.230 1.00 0.00 O ATOM 1354 CB ALA A 85 1.160 9.669 -11.066 1.00 0.00 C ATOM 0 H ALA A 85 1.233 7.990 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 85 2.740 10.433 -9.811 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.082 10.582 -11.657 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.809 8.959 -11.579 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.169 9.231 -10.942 1.00 0.00 H new ATOM 1360 N GLN A 86 -0.018 10.547 -8.097 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.928 11.480 -7.374 1.00 0.00 C ATOM 1362 C GLN A 86 -0.218 12.086 -6.150 1.00 0.00 C ATOM 1363 O GLN A 86 -0.829 12.790 -5.367 1.00 0.00 O ATOM 1364 CB GLN A 86 -2.173 10.707 -6.917 1.00 0.00 C ATOM 1365 CG GLN A 86 -3.376 11.104 -7.778 1.00 0.00 C ATOM 1366 CD GLN A 86 -4.655 10.996 -6.947 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -5.308 9.970 -6.943 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -5.046 12.020 -6.237 1.00 0.00 N ATOM 0 H GLN A 86 -0.123 9.563 -7.849 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.215 12.291 -8.044 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.996 9.634 -6.996 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.379 10.919 -5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.253 12.123 -8.146 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.441 10.456 -8.652 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.499 12.881 -6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.898 11.959 -5.680 1.00 0.00 H new ATOM 1377 N GLY A 87 1.058 11.822 -5.972 1.00 0.00 N ATOM 1378 CA GLY A 87 1.784 12.386 -4.796 1.00 0.00 C ATOM 1379 C GLY A 87 1.323 11.669 -3.526 1.00 0.00 C ATOM 1380 O GLY A 87 1.318 12.237 -2.449 1.00 0.00 O ATOM 0 H GLY A 87 1.623 11.241 -6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.859 12.265 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.591 13.456 -4.714 1.00 0.00 H new ATOM 1384 N VAL A 88 0.937 10.423 -3.646 1.00 0.00 N ATOM 1385 CA VAL A 88 0.474 9.658 -2.451 1.00 0.00 C ATOM 1386 C VAL A 88 1.441 8.504 -2.180 1.00 0.00 C ATOM 1387 O VAL A 88 2.032 7.952 -3.088 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.932 9.107 -2.713 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.449 8.390 -1.463 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.873 10.263 -3.054 1.00 0.00 C ATOM 0 H VAL A 88 0.923 9.903 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 88 0.447 10.316 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.893 8.403 -3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.449 8.000 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.780 7.566 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.487 9.092 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.874 9.874 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.906 10.964 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.511 10.776 -3.945 1.00 0.00 H new ATOM 1400 N SER A 89 1.603 8.141 -0.933 1.00 0.00 N ATOM 1401 CA SER A 89 2.530 7.028 -0.587 1.00 0.00 C ATOM 1402 C SER A 89 1.722 5.766 -0.276 1.00 0.00 C ATOM 1403 O SER A 89 0.534 5.828 -0.024 1.00 0.00 O ATOM 1404 CB SER A 89 3.355 7.415 0.642 1.00 0.00 C ATOM 1405 OG SER A 89 4.583 7.992 0.221 1.00 0.00 O ATOM 0 H SER A 89 1.130 8.571 -0.138 1.00 0.00 H new ATOM 0 HA SER A 89 3.195 6.837 -1.429 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.800 8.122 1.259 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.545 6.536 1.258 1.00 0.00 H new ATOM 0 HG SER A 89 5.113 8.243 1.006 1.00 0.00 H new ATOM 1411 N ILE A 90 2.364 4.626 -0.285 1.00 0.00 N ATOM 1412 CA ILE A 90 1.645 3.354 0.019 1.00 0.00 C ATOM 1413 C ILE A 90 2.489 2.530 0.991 1.00 0.00 C ATOM 1414 O ILE A 90 3.626 2.204 0.716 1.00 0.00 O ATOM 1415 CB ILE A 90 1.416 2.555 -1.266 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.774 3.463 -2.323 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.488 1.375 -0.963 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.587 2.689 -3.629 1.00 0.00 C ATOM 0 H ILE A 90 3.358 4.522 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 90 0.677 3.583 0.465 1.00 0.00 H new ATOM 0 HB ILE A 90 2.367 2.182 -1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.189 3.828 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.402 4.337 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.320 0.801 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.948 0.735 -0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.465 1.748 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.131 3.339 -4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.556 2.346 -3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.060 1.829 -3.453 1.00 0.00 H new ATOM 1430 N ARG A 91 1.936 2.202 2.128 1.00 0.00 N ATOM 1431 CA ARG A 91 2.697 1.409 3.135 1.00 0.00 C ATOM 1432 C ARG A 91 2.327 -0.071 3.018 1.00 0.00 C ATOM 1433 O ARG A 91 1.178 -0.416 2.825 1.00 0.00 O ATOM 1434 CB ARG A 91 2.343 1.913 4.535 1.00 0.00 C ATOM 1435 CG ARG A 91 3.158 3.167 4.848 1.00 0.00 C ATOM 1436 CD ARG A 91 2.652 3.794 6.149 1.00 0.00 C ATOM 1437 NE ARG A 91 3.583 4.885 6.573 1.00 0.00 N ATOM 1438 CZ ARG A 91 4.760 4.617 7.103 1.00 0.00 C ATOM 1439 NH1 ARG A 91 5.169 3.381 7.281 1.00 0.00 N ATOM 1440 NH2 ARG A 91 5.538 5.602 7.459 1.00 0.00 N ATOM 0 H ARG A 91 0.986 2.451 2.403 1.00 0.00 H new ATOM 0 HA ARG A 91 3.766 1.524 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.277 2.135 4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.549 1.139 5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.214 2.913 4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.073 3.882 4.030 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.648 4.194 6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.585 3.035 6.929 1.00 0.00 H new ATOM 0 HE ARG A 91 3.301 5.857 6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.571 2.601 7.007 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.084 3.201 7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.233 6.566 7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.451 5.408 7.870 1.00 0.00 H new ATOM 1454 N PHE A 92 3.294 -0.943 3.146 1.00 0.00 N ATOM 1455 CA PHE A 92 3.008 -2.406 3.058 1.00 0.00 C ATOM 1456 C PHE A 92 3.437 -3.067 4.371 1.00 0.00 C ATOM 1457 O PHE A 92 4.493 -2.778 4.900 1.00 0.00 O ATOM 1458 CB PHE A 92 3.790 -3.015 1.890 1.00 0.00 C ATOM 1459 CG PHE A 92 3.305 -2.419 0.589 1.00 0.00 C ATOM 1460 CD1 PHE A 92 2.100 -2.854 0.024 1.00 0.00 C ATOM 1461 CD2 PHE A 92 4.062 -1.430 -0.053 1.00 0.00 C ATOM 1462 CE1 PHE A 92 1.652 -2.297 -1.181 1.00 0.00 C ATOM 1463 CE2 PHE A 92 3.613 -0.875 -1.257 1.00 0.00 C ATOM 1464 CZ PHE A 92 2.409 -1.309 -1.821 1.00 0.00 C ATOM 0 H PHE A 92 4.272 -0.704 3.308 1.00 0.00 H new ATOM 0 HA PHE A 92 1.943 -2.569 2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.856 -2.824 2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.660 -4.097 1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.517 -3.618 0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.993 -1.096 0.381 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.722 -2.630 -1.616 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.196 -0.112 -1.750 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.063 -0.882 -2.751 1.00 0.00 H new ATOM 1474 N ILE A 93 2.621 -3.941 4.906 1.00 0.00 N ATOM 1475 CA ILE A 93 2.971 -4.613 6.197 1.00 0.00 C ATOM 1476 C ILE A 93 4.298 -5.375 6.051 1.00 0.00 C ATOM 1477 O ILE A 93 5.148 -5.324 6.919 1.00 0.00 O ATOM 1478 CB ILE A 93 1.841 -5.578 6.590 1.00 0.00 C ATOM 1479 CG1 ILE A 93 2.173 -6.250 7.928 1.00 0.00 C ATOM 1480 CG2 ILE A 93 1.670 -6.651 5.509 1.00 0.00 C ATOM 1481 CD1 ILE A 93 2.063 -5.224 9.058 1.00 0.00 C ATOM 0 H ILE A 93 1.726 -4.219 4.504 1.00 0.00 H new ATOM 0 HA ILE A 93 3.089 -3.862 6.978 1.00 0.00 H new ATOM 0 HB ILE A 93 0.913 -5.014 6.688 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.490 -7.080 8.109 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.180 -6.666 7.898 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.867 -7.331 5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.422 -6.175 4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.599 -7.211 5.402 1.00 0.00 H new ATOM 0 HD11 ILE A 93 2.299 -5.703 10.008 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.764 -4.409 8.878 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.048 -4.829 9.093 1.00 0.00 H new